2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid

C24H38O7 — CID 89242434

IUPAC2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILESC=CC(O)C(O)C/C=C/C(CC(=C)CC(C)C[C@@H]1CC=CC(CC(=O)O)O1)OCOC
InChIInChI=1S/C24H38O7/c1-5-22(25)23(26)11-7-8-19(30-16-29-4)13-17(2)12-18(3)14-20-9-6-10-21(31-20)15-24(27)28/h5-8,10,18-23,25-26H,1-2,9,11-16H2,3-4H3,(H,27,28)/b8-7+/t18?,19?,20-,21?,22?,23?/m0/s1
InChIKeyYVAQMSWGPXALPW-RBEFDSDBSA-N
MW438.56 g/mol
LogP3.38
Rot. Bonds16

About 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid

2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid (PubChem CID 89242434) has the molecular formula C24H38O7 and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid
PubChem CID89242434
Molecular FormulaC24H38O7
Molecular Weight438.56 g/mol
Exact Mass438.26
IUPAC Name2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILESC=CC(O)C(O)C/C=C/C(CC(=C)CC(C)C[C@@H]1CC=CC(CC(=O)O)O1)OCOC
InChIInChI=1S/C24H38O7/c1-5-22(25)23(26)11-7-8-19(30-16-29-4)13-17(2)12-18(3)14-20-9-6-10-21(31-20)15-24(27)28/h5-8,10,18-23,25-26H,1-2,9,11-16H2,3-4H3,(H,27,28)/b8-7+/t18?,19?,20-,21?,22?,23?/m0/s1
InChIKeyYVAQMSWGPXALPW-RBEFDSDBSA-N
XLogP3.38
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid (CID 89242434) is 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid is C=CC(O)C(O)C/C=C/C(CC(=C)CC(C)C[C@@H]1CC=CC(CC(=O)O)O1)OCOC.
What is the InChIKey of 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid?
The InChIKey is YVAQMSWGPXALPW-RBEFDSDBSA-N. The full InChI is InChI=1S/C24H38O7/c1-5-22(25)23(26)11-7-8-19(30-16-29-4)13-17(2)12-18(3)14-20-9-6-10-21(31-20)15-24(27)28/h5-8,10,18-23,25-26H,1-2,9,11-16H2,3-4H3,(H,27,28)/b8-7+/t18?,19?,20-,21?,22?,23?/m0/s1.
What are the key properties of 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid?
2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid has a molecular weight of 438.56 g/mol, XLogP of 3.38, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(7E)-10,11-dihydroxy-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid is sourced from PubChem (CID 89242434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).